SCHEMBL13360847

SCHEMBL13360847

Nc1n[nH]c2nc(-c3cccc(I)c3)c3c(c12)CCCC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
EPHA4 P54764 3/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
RAB9A P51151 1/20 0.35
PDPK1 O15530 2/20 0.35
KDM4E B2RXH2 2/20 0.34
LIMK1 P53667 1/20 0.34
CDK2 P24941 3/20 0.34
FLT3 P36888 2/20 0.34
CCNA1 P78396 2/20 0.34
MAPK10 P53779 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13329468 0.85 IKBKE (0.44) CHRNB4CHRNA3EPHA4ALDH1A1LMNA
SCHEMBL13329432 0.85 ALDH1A1 (0.50) CHRNB4CHRNA3ALDH1A1MAPTHTT
SCHEMBL13329420 0.84 ALDH1A1 (0.47) EPHA4ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL13329634 0.84 IKBKE (0.43) CHRNB4CHRNA3EPHA4ALDH1A1LMNA
SCHEMBL13329626 0.84 EPHA4 (0.45) CHRNB4CHRNA3EPHA4ALDH1A1MAPT
SCHEMBL13329610 0.83 ALDH1A1 (0.46) EPHA4ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL13329321 0.83 HTR7 (0.43) CHRNB4CHRNA3EPHA4ALDH1A1MAPT
SCHEMBL13329346 0.83 IKBKE (0.44) EPHA4ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL13360806 0.82 ADORA2A (0.44) ALDH1A1HPGDKDM4EMAP2K1
SCHEMBL13329448 0.82 DHFR (0.38) EPHA4ALDH1A1MAPTHTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER MERCK SHARP & DOHME CORP 2010-05-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113415-A1 EPHA4 RTK INHIBITORS FOR TREATMENT OF NEUROLOGICAL AND NEURODEGENERATIVE DISORDERS AND CANCER EPHA4, EPHA1, ERBB4 CHRNB4 138/4885CHRNA3 576/4885EPHA4 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.